SCHEMBL2221150

SCHEMBL2221150

Cc1cc(I)cc(CN(C)CCCN(C)C)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.34
ALOX15 P16050 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8365303 0.87 DRD3 (0.34) CYP2C9CYP2C19HSD17B10MAPK1HTT
Hydrochloric Acid SCHEMBL9290809 0.86 DRD3 (0.33) CYP2C9CYP2C19HSD17B10MAPK1HTT
SCHEMBL30885795 0.82 ALDH1A1 (0.35) SLC6A4ALOX15CYP2C9CYP2C19HSD17B10
SCHEMBL30885794 0.82 ALDH1A1 (0.35) SLC6A4ALOX15CYP2C9CYP2C19HSD17B10
SCHEMBL8364621 0.80 SIGMAR1 (0.46) MAPK1ALDH1A1KDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL9290813 0.79 SIGMAR1 (0.45) MAPK1MAPTL3MBTL1
SCHEMBL8362046 0.79 SIGMAR1 (0.45) MAPK1KDM4EMAPTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL9290732 0.78 SIGMAR1 (0.44) MAPK1KDM4EMAPTTDP1L3MBTL1
SCHEMBL2445510 0.77 ALDH1A1 (0.44) HSD17B10MAPK1ALDH1A1TSHRKDM4E
SCHEMBL11054686 0.77 TERT (0.44) SLC6A4HTTTSHRKDM4ETDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165630-B1 METHOD OF PREPARING A CHLORINATED, BROMINATED, RADIOBROMINATED, IODINATED AND/OR RADIOIODINATED, AROMATIC OR HETEROAROMATIC COMPOUND, AS WELL AS A KIT FOR PREPARING A DIAGNOSTIC COMPOSITION ON THE BASIS OF THIS COMPOUND MALLINCKRODT, INC.(a Missouri corporation) (US) 1989-10-18 EP claimed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP claimed
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
US-5349063-A Radiolabled diamines ALBERTA CANCER BOARD (CA) 1994-09-20 US disclosed
US-5021220-A Haluaromatic compound, water-soluble acid, copper salt acid-stable reducing agent MALLINCKRODT, INC. (US) 1991-06-04 US disclosed
US-4942231-A CATALYTIC HALOGENATION IN THE PRESENCE OF A REDUCING AGENT AND ACID MEDIUM MALLINCKRODT, INC. (US) 1990-07-17 US disclosed
US-4914215-A INTERMEDIATES FOR RADIOPHARMACEUTICALS; BRAIN IMAGING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1990-04-03 US disclosed
US-4900539-A BRAIN IMAGING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1990-02-13 US disclosed
EP-0165630-B1 METHOD OF PREPARING A CHLORINATED, BROMINATED, RADIOBROMINATED, IODINATED AND/OR RADIOIODINATED, AROMATIC OR HETEROAROMATIC COMPOUND, AS WELL AS A KIT FOR PREPARING A DIAGNOSTIC COMPOSITION ON THE BASIS OF THIS COMPOUND MALLINCKRODT, INC.(a Missouri corporation) (US) 1989-10-18 EP disclosed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP disclosed
US-4430319-A DIAGNOSIS, ISOTOPE EXCHANGING, CONTAINERS, SODIUM PHOSPHATE BUFFERS STATE UNIVERSITY OF NEW YORK (US) 1984-02-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 SLC6A4 271/4885ALOX15 4321/4885CYP2C9 3642/4885
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY SLC2A1, SLC2A4, SLC2A3 SLC6A4 271/4885ALOX15 4321/4885CYP2C9 3642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.